Molecule

ID:64756

General Information
Structure
MolImage
Molecular Formula
C₅H₄ClN₃O
Molecular Mass
157.55776
Exact Mass
157.00428944
Charge
0
InChI
InChI=1S/C5H4ClN3O/c6-5-8-2-1-3(9-5)4(7)10/h1-2H,(H2,7,10)
InChIKey
UXXQEVFRPLIOHJ-UHFFFAOYSA-N
Canonic Smiles
Clc1nccc(n1)C(=O)N
Isomeric Smiles
n1c(nccc1C(=O)N)Cl
Calculated Properties
JChem
Acid pKa
13.203459
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.19477642
LogD (pH = 7.4)
0.19477703
Log P
0.19477642
Molar Refractivity
36.9273
Polarizability
13.524046
Polar Surface Area
68.87
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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